Role of hydroxyl groups in the NH(x) (x = 1-3) adsorption on the TiO2 anatase (101) surface determined by a first-principles study
A spin-polarized density functional theory calculation was carried out to study the adsorption of NH(x) species (x = 1-3) on a TiO2 anatase (101) surface with and without hydroxyl groups by using first-principles calculations. It was found that the present hydroxyl group has the effect of significan...
Ausführliche Beschreibung
Bibliographische Detailangaben
| Veröffentlicht in: | Langmuir : the ACS journal of surfaces and colloids. - 1992. - 26(2010), 7 vom: 06. Apr., Seite 4813-21
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| 1. Verfasser: |
Chang, Jee-Gong
(VerfasserIn) |
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| Weitere Verfasser: |
Chen, Hsin-Tsung,
Ju, Shin-Pon,
Chen, Hui-Lung,
Hwang, Chi-Chuan |
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| Format: | Online-Aufsatz
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| Sprache: | English |
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| Veröffentlicht: |
2010
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| Zugriff auf das übergeordnete Werk: | Langmuir : the ACS journal of surfaces and colloids
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| Schlagworte: | Journal Article |
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